About [1-(2-diphenylphosphanyloxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]oxy-diphenylphosphane
[1-(2-diphenylphosphanyloxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]oxy-diphenylphosphane (PubChem CID 10234407) has the molecular formula C56H40O2P2
and a molecular weight of 806.88 g/mol. Its IUPAC name is [1-(2-diphenylphosphanyloxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]oxy-diphenylphosphane.
Molecular Properties
| Compound Name | [1-(2-diphenylphosphanyloxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]oxy-diphenylphosphane |
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| PubChem CID | 10234407 |
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| Molecular Formula | C56H40O2P2 |
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| Molecular Weight | 806.88 g/mol |
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| Exact Mass | 806.25 |
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| IUPAC Name | [1-(2-diphenylphosphanyloxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]oxy-diphenylphosphane |
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| SMILES | c1ccc(-c2cc3ccccc3c(-c3c(OP(c4ccccc4)c4ccccc4)c(-c4ccccc4)cc4ccccc34)c2OP(c2ccccc2)c2ccccc2)cc1 |
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| InChI | InChI=1S/C56H40O2P2/c1-7-23-41(24-8-1)51-39-43-27-19-21-37-49(43)53(55(51)57-59(45-29-11-3-12-30-45)46-31-13-4-14-32-46)54-50-38-22-20-28-44(50)40-52(42-25-9-2-10-26-42)56(54)58-60(47-33-15-5-16-34-47)48-35-17-6-18-36-48/h1-40H |
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| InChIKey | LBRMYPXTBDIKSA-UHFFFAOYSA-N |
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| XLogP | 13.85 |
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| TPSA | 18.46 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 11 |
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| Heavy Atoms | 60 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 806.88 |
| LogP ≤ 5 | 13.85 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [1-(2-diphenylphosphanyloxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]oxy-diphenylphosphane?
The IUPAC name of [1-(2-diphenylphosphanyloxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]oxy-diphenylphosphane (CID 10234407) is [1-(2-diphenylphosphanyloxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]oxy-diphenylphosphane.
What is the SMILES notation for [1-(2-diphenylphosphanyloxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]oxy-diphenylphosphane?
The canonical SMILES for [1-(2-diphenylphosphanyloxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]oxy-diphenylphosphane is c1ccc(-c2cc3ccccc3c(-c3c(OP(c4ccccc4)c4ccccc4)c(-c4ccccc4)cc4ccccc34)c2OP(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [1-(2-diphenylphosphanyloxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]oxy-diphenylphosphane?
The InChIKey is LBRMYPXTBDIKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40O2P2/c1-7-23-41(24-8-1)51-39-43-27-19-21-37-49(43)53(55(51)57-59(45-29-11-3-12-30-45)46-31-13-4-14-32-46)54-50-38-22-20-28-44(50)40-52(42-25-9-2-10-26-42)56(54)58-60(47-33-15-5-16-34-47)48-35-17-6-18-36-48/h1-40H.
What are the key properties of [1-(2-diphenylphosphanyloxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]oxy-diphenylphosphane?
[1-(2-diphenylphosphanyloxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]oxy-diphenylphosphane has a molecular weight of 806.88 g/mol, XLogP of 13.85, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-diphenylphosphanyloxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]oxy-diphenylphosphane is sourced from PubChem (CID 10234407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).